SCHEMBL5166945

SCHEMBL5166945

Nc1nc(-c2cc(OCC3CCCC3)ccc2O)cn(C2CCCNC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.41
MAP2K1 Q02750 1/20 0.40
GRK2 P25098 1/20 0.38
CHUK O15111 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CHEK2 O96017 1/20 0.37
PARP15 Q460N3 3/20 0.36
PARP10 Q53GL7 3/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
BMPR1A P36894 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
MAP4K3 Q8IVH8 1/20 0.34
PRKCZ Q05513 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5166209 0.99 IKBKB (0.42) IKBKBMAP2K1GRK2CHUKMAOA
SCHEMBL5167165 0.97 IKBKB (0.40) IKBKBMAP2K1GRK2CHUKMAOA
SCHEMBL14540230 0.90 MAP2K1 (0.41) IKBKBMAP2K1GRK2MAOAMAOB
SCHEMBL5167318 0.90 IKBKB (0.40) IKBKBCHUKCDK1CDK2
SCHEMBL5166621 0.88 IKBKB (0.41) IKBKBCHUKCHEK2CDK1CDK2
SCHEMBL5165881 0.87 ROCK1 (0.41) IKBKBCHUKCHEK2CDK1CDK2
SCHEMBL5165069 0.87 IKBKB (0.49) IKBKBCHUKCHEK2CDK1CDK2
SCHEMBL5166627 0.86 IKBKB (0.42) IKBKBCHUKMAOAMAOBCHEK2
SCHEMBL5165032 0.86 ROCK1 (0.41) IKBKBCHUKMAOBCHEK2CDK1
SCHEMBL5165088 0.85 IKBKB (0.37) IKBKBCHUKCDK1CDK2BMPR1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US claimed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP claimed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP disclosed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation CNKSR1, IL1RN, CHUK IKBKB 15/4885MAP2K1 406/4885GRK2 96/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.